4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide

C25H31N3O5 — CID 55527756

IUPAC4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H31N3O5/c1-2-15-32-21-11-5-18(6-12-21)23(29)13-14-24(30)27-19-7-9-20(10-8-19)28-25(31)26-17-22-4-3-16-33-22/h5-12,22H,2-4,13-17H2,1H3,(H,27,30)(H2,26,28,31)
InChIKeyREDODOVGMGYWOK-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.38
Rot. Bonds11

About 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide

4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide (PubChem CID 55527756) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
PubChem CID55527756
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H31N3O5/c1-2-15-32-21-11-5-18(6-12-21)23(29)13-14-24(30)27-19-7-9-20(10-8-19)28-25(31)26-17-22-4-3-16-33-22/h5-12,22H,2-4,13-17H2,1H3,(H,27,30)(H2,26,28,31)
InChIKeyREDODOVGMGYWOK-UHFFFAOYSA-N
XLogP4.38
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
4-(4-fluorophenyl)-4-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 87020615
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide?
The IUPAC name of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide (CID 55527756) is 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide?
The InChIKey is REDODOVGMGYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-2-15-32-21-11-5-18(6-12-21)23(29)13-14-24(30)27-19-7-9-20(10-8-19)28-25(31)26-17-22-4-3-16-33-22/h5-12,22H,2-4,13-17H2,1H3,(H,27,30)(H2,26,28,31).
What are the key properties of 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide?
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide has a molecular weight of 453.54 g/mol, XLogP of 4.38, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55527756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).